#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x68 s SER 2 N 0.00 3.13 0.05 1.61 0.15 -1.26 -4.92 113.70 112.47 1x68 s SER 2 Ca 0.00 -3.31 0.03 0.00 0.70 0.00 0.00 55.95 53.37 1x68 s SER 2 Cb 0.00 -1.00 -0.24 0.00 -1.71 0.00 0.00 66.02 63.06 1x68 s SER 2 CO 0.00 -0.15 1.03 -1.28 1.20 0.00 0.00 173.24 174.04 1x68 h SER 3 N 5.72 0.18 -5.00 5.45 0.87 -2.08 -3.51 113.55 115.17 1x68 h SER 3 Ca 0.18 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1x68 h SER 3 Cb 0.85 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1x68 h SER 3 CO 0.52 1.19 0.00 0.61 -0.53 0.00 0.00 176.83 178.62 1x68 n GLY 4 N 1.50 -3.92 2.68 5.77 0.00 -1.26 -4.96 105.19 105.00 1x68 n GLY 4 Ca -0.09 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 1x68 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x68 n SER 5 N 0.00 -0.18 -3.72 1.61 3.41 -1.26 -4.99 113.62 108.49 1x68 n SER 5 Ca 0.00 -2.58 -0.37 0.00 -0.26 0.00 0.00 58.87 55.66 1x68 n SER 5 Cb 0.00 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1x68 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x68 n SER 6 N -0.33 5.58 -1.51 4.04 3.41 -1.26 -5.01 113.62 118.53 1x68 n SER 6 Ca 0.03 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1x68 n SER 6 Cb 0.83 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1x68 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x68 n GLY 7 N 0.94 3.82 3.60 5.00 0.00 -1.26 -4.26 105.19 113.02 1x68 n GLY 7 Ca 0.30 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1x68 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 h VAL 9 N 6.64 0.23 0.00 0.00 2.07 -1.91 0.68 116.25 123.96 1x68 h VAL 9 Ca -0.30 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x68 h VAL 9 Cb 1.14 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1x68 h VAL 9 CO 1.06 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.70 1x68 n ALA 10 N -2.29 1.79 -1.36 1.67 0.00 -1.26 -4.15 120.51 114.91 1x68 n ALA 10 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1x68 n ALA 10 Cb 1.06 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1x68 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x68 n SER 12 N 0.00 -4.45 -4.78 0.00 3.41 0.21 -4.94 113.62 103.07 1x68 n SER 12 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1x68 n SER 12 Cb 0.13 -2.88 0.02 0.00 -0.26 0.00 0.00 64.21 61.22 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x68 s LYS 13 N -1.54 3.12 0.08 4.33 -0.14 -1.26 -4.53 119.74 119.81 1x68 s LYS 13 Ca 0.00 1.44 -0.31 0.00 -1.36 0.00 0.00 55.97 55.74 1x68 s LYS 13 Cb 0.00 -1.99 -0.07 0.00 -1.68 0.00 0.00 37.83 34.09 1x68 s LYS 13 CO 0.00 -1.00 1.46 -1.25 -0.76 0.00 0.00 175.35 173.80 1x68 s PRO 14 N -3.76 4.27 0.41 -1.68 0.04 -1.26 -0.99 135.00 132.04 1x68 s PRO 14 Ca 0.69 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.59 1x68 s PRO 14 Cb -0.21 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 1x68 s PRO 14 CO 0.34 -0.55 1.29 0.42 0.04 0.00 0.00 177.00 178.54 1x68 s ILE 15 N 1.79 2.65 0.76 0.56 -1.09 -1.26 -4.87 121.20 119.73 1x68 s ILE 15 Ca 0.67 0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 59.51 1x68 s ILE 15 Cb -0.36 -3.33 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1x68 s ILE 15 CO 0.30 0.08 1.23 -1.20 -1.23 0.00 0.00 174.94 174.12 1x68 n SER 16 N 0.07 1.38 0.00 3.58 7.64 -1.26 -5.02 113.62 120.01 1x68 n SER 16 Ca 0.04 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1x68 n SER 16 Cb 0.44 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1x68 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 17 N 0.67 1.69 2.45 0.23 0.00 -1.26 -4.91 105.19 104.06 1x68 n GLY 17 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1x68 n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x68 n LEU 18 N -0.45 -1.15 -0.29 0.99 0.00 -1.26 -4.95 117.00 109.88 1x68 n LEU 18 Ca 0.00 -4.06 0.05 0.00 0.00 0.00 0.00 56.01 52.00 1x68 n LEU 18 Cb 0.00 0.63 0.07 0.00 0.00 0.00 0.00 43.42 44.12 1x68 n LEU 18 CO 0.00 1.93 0.41 1.07 0.00 0.00 0.00 177.39 180.80 1x68 n THR 19 N 2.49 0.98 -0.97 1.96 5.66 -1.26 -5.00 114.28 118.15 1x68 n THR 19 Ca 0.24 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.05 1x68 n THR 19 Cb 0.52 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1x68 n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x68 n GLY 20 N -0.73 0.62 3.74 1.09 0.00 -1.26 -5.01 105.19 103.63 1x68 n GLY 20 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1x68 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 s ALA 21 N -2.61 2.24 -0.30 4.61 0.00 -1.26 -5.01 121.76 119.43 1x68 s ALA 21 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 1x68 s ALA 21 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1x68 s ALA 21 CO 0.00 -1.66 0.15 0.15 0.00 0.00 0.00 175.76 174.41 1x68 s LYS 22 N -3.91 3.53 -0.08 0.00 3.01 -1.26 -5.06 119.74 115.97 1x68 s LYS 22 Ca 0.73 -0.59 -0.01 0.00 -1.01 0.00 0.00 55.97 55.08 1x68 s LYS 22 Cb -0.27 -3.56 0.03 0.00 -1.01 0.00 0.00 37.83 33.02 1x68 s LYS 22 CO 0.43 -0.33 -0.02 -0.59 0.51 0.00 0.00 175.35 175.35 1x68 s PHE 23 N 1.65 0.87 0.42 3.18 -0.12 -1.26 -2.06 117.98 120.65 1x68 s PHE 23 Ca 0.06 -0.30 -0.15 0.00 -0.05 0.00 0.00 56.93 56.48 1x68 s PHE 23 Cb -0.17 -0.90 -0.08 0.00 -0.63 0.00 0.00 43.02 41.25 1x68 s PHE 23 CO 0.07 -0.37 0.85 0.42 -0.05 0.00 0.00 175.22 176.14 1x68 s ILE 24 N 1.86 4.63 -0.24 -4.49 -1.09 0.08 -4.91 121.20 117.04 1x68 s ILE 24 Ca 0.04 1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 59.45 1x68 s ILE 24 Cb -0.12 -3.68 0.07 0.00 -1.58 0.00 0.00 42.46 37.15 1x68 s ILE 24 CO -0.06 -0.45 0.02 0.00 -1.23 0.00 0.00 174.94 173.22 1x68 s PHE 26 N 1.59 1.61 -1.39 0.00 5.36 -0.27 -4.80 117.98 120.08 1x68 s PHE 26 Ca 0.01 -0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 55.21 1x68 s PHE 26 Cb -0.18 -1.24 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1x68 s PHE 26 CO -0.12 -0.45 0.42 0.94 -1.46 0.00 0.00 175.22 174.56 1x68 n GLN 27 N 4.48 -3.05 -0.19 10.12 0.00 -1.26 -1.30 117.38 126.18 1x68 n GLN 27 Ca -0.17 0.39 0.00 0.00 -0.00 0.00 0.00 57.00 57.22 1x68 n GLN 27 Cb 0.51 -4.44 0.00 0.00 0.00 0.00 0.00 30.24 26.30 1x68 n GLN 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1x68 n ASP 28 N -2.96 0.00 -4.86 1.69 2.03 -1.26 -4.96 116.55 106.23 1x68 n ASP 28 Ca -0.30 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.69 1x68 n ASP 28 Cb 0.68 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x68 s SER 29 N -2.22 6.69 -0.07 1.67 0.15 -0.42 -5.07 113.70 114.44 1x68 s SER 29 Ca 0.00 1.05 0.04 0.00 0.70 0.00 0.00 55.95 57.74 1x68 s SER 29 Cb 0.00 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1x68 s SER 29 CO 0.00 -0.11 -0.18 -1.10 1.20 0.00 0.00 173.24 173.06 1x68 s GLN 30 N -2.82 2.69 -0.02 5.44 1.11 -1.26 -1.11 119.66 123.70 1x68 s GLN 30 Ca 0.49 -0.76 0.04 0.00 0.01 0.00 0.00 55.36 55.13 1x68 s GLN 30 Cb -0.11 -2.36 -0.01 0.00 -1.01 0.00 0.00 33.01 29.52 1x68 s GLN 30 CO 0.20 0.46 -0.12 -1.58 0.01 0.00 0.00 175.29 174.26 1x68 s TRP 31 N -0.32 1.15 0.58 0.91 0.51 -0.82 -3.64 118.94 117.31 1x68 s TRP 31 Ca 0.02 -0.25 -0.18 0.00 -2.12 0.00 0.00 56.10 53.58 1x68 s TRP 31 Cb -0.13 -0.76 -0.04 0.00 -0.81 0.00 0.00 33.47 31.73 1x68 s TRP 31 CO 0.02 -0.05 1.10 -1.01 -0.51 0.00 0.00 176.95 176.50 1x68 s HIS 32 N -0.15 2.74 0.11 -1.98 3.76 -1.26 -0.74 115.29 117.77 1x68 s HIS 32 Ca 0.02 1.55 -0.24 0.00 -0.15 0.00 0.00 55.06 56.23 1x68 s HIS 32 Cb -0.06 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.37 1x68 s HIS 32 CO -0.00 -1.45 1.41 0.66 -0.85 0.00 0.00 174.74 174.51 1x68 h SER 33 N 0.76 -1.48 0.12 1.40 4.64 -1.81 -0.65 113.55 116.53 1x68 h SER 33 Ca -0.48 0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1x68 h SER 33 Cb 1.25 0.63 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1x68 h SER 33 CO 0.56 -0.26 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.92 1x68 h GLU 34 N -0.20 0.00 0.00 4.77 3.07 -1.93 -2.78 114.58 117.51 1x68 h GLU 34 Ca 0.08 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.69 1x68 h GLU 34 Cb 0.40 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 1x68 h GLU 34 CO -0.54 0.02 -1.61 0.00 -1.40 0.00 0.00 179.01 175.48 1x68 s PHE 36 N -2.73 1.86 0.11 0.00 5.36 -0.49 -4.92 117.98 117.18 1x68 s PHE 36 Ca -0.04 0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 56.53 1x68 s PHE 36 Cb 0.08 -4.22 -0.04 0.00 -0.34 0.00 0.00 43.02 38.51 1x68 s PHE 36 CO 0.82 -2.28 0.03 -0.80 -1.46 0.00 0.00 175.22 171.53 1x68 s ASN 37 N 6.73 0.38 -0.06 6.13 0.01 -1.26 -1.38 114.94 125.47 1x68 s ASN 37 Ca 0.61 -1.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.31 1x68 s ASN 37 Cb -0.13 0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.72 1x68 s ASN 37 CO 0.22 -0.69 2.05 0.00 -1.51 0.00 0.00 177.10 177.16 1x68 h GLY 39 N 11.87 0.00 1.51 0.00 0.00 -1.84 0.31 103.07 114.92 1x68 h GLY 39 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1x68 h GLY 39 CO 0.95 0.00 -0.46 0.50 0.00 0.00 0.00 176.54 177.53 1x68 h LYS 40 N 0.00 0.00 0.00 4.80 1.57 -1.89 -3.41 116.57 117.63 1x68 h LYS 40 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1x68 h LYS 40 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1x68 h LYS 40 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1x68 n SER 42 N 0.00 -6.09 -4.35 0.00 3.41 0.94 -4.95 113.62 102.58 1x68 n SER 42 Ca 0.00 -0.62 -0.32 0.00 -0.26 0.00 0.00 58.87 57.67 1x68 n SER 42 Cb 0.00 -4.64 -0.15 0.00 -0.26 0.00 0.00 64.21 59.16 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x68 s VAL 43 N -3.34 2.46 0.11 -3.33 0.11 -1.26 -4.85 120.40 110.29 1x68 s VAL 43 Ca 0.40 -0.93 -0.32 0.00 -2.93 0.00 0.00 61.98 58.20 1x68 s VAL 43 Cb -0.05 -1.92 -0.11 0.00 -1.53 0.00 0.00 36.38 32.76 1x68 s VAL 43 CO 0.65 0.57 1.80 -0.24 -3.33 0.00 0.00 175.10 174.55 1x68 n SER 44 N 2.72 3.81 -1.48 3.54 2.88 -1.26 -1.68 113.62 122.15 1x68 n SER 44 Ca -0.17 1.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.46 1x68 n SER 44 Cb 0.52 -1.50 0.34 0.00 -0.75 0.00 0.00 64.21 62.81 1x68 n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x68 n LEU 45 N 5.33 4.59 -4.69 2.46 4.77 -0.48 -4.91 117.00 124.07 1x68 n LEU 45 Ca 0.18 -2.45 -0.43 0.00 -0.03 0.00 0.00 56.01 53.28 1x68 n LEU 45 Cb 0.35 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1x68 n LEU 45 CO 0.66 0.80 1.40 0.52 -1.33 0.00 0.00 177.39 179.45 1x68 n VAL 46 N 0.99 0.23 0.00 4.08 0.31 -1.26 -3.39 118.33 119.28 1x68 n VAL 46 Ca 0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1x68 n VAL 46 Cb 0.86 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1x68 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x68 n GLY 47 N 4.04 0.98 3.73 2.92 0.00 -1.26 -4.94 105.19 110.65 1x68 n GLY 47 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1x68 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x68 s LYS 48 N 0.00 2.21 0.79 1.61 -2.85 -1.22 -5.01 119.74 115.27 1x68 s LYS 48 Ca 0.00 1.72 -0.11 0.00 -1.00 0.00 0.00 55.97 56.58 1x68 s LYS 48 Cb 0.00 -1.85 0.07 0.00 -2.06 0.00 0.00 37.83 33.99 1x68 s LYS 48 CO 0.00 -1.77 1.09 0.20 0.10 0.00 0.00 175.35 174.97 1x68 s GLY 49 N -2.09 1.66 0.13 0.59 0.00 -1.26 -4.94 107.32 101.41 1x68 s GLY 49 Ca 0.74 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.49 1x68 s GLY 49 CO 0.45 0.50 0.23 -0.11 0.00 0.00 0.00 173.10 174.16 1x68 s PHE 50 N -2.96 0.35 0.15 1.90 -0.71 -1.26 -4.45 117.98 111.00 1x68 s PHE 50 Ca 0.61 -0.74 0.08 0.00 -1.04 0.00 0.00 56.93 55.84 1x68 s PHE 50 Cb -0.17 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 1x68 s PHE 50 CO 0.56 -0.63 -0.08 -0.51 -1.34 0.00 0.00 175.22 173.22 1x68 s LEU 51 N -2.94 3.07 -0.10 -1.99 1.02 -0.33 -4.95 118.68 112.47 1x68 s LEU 51 Ca 0.13 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.82 1x68 s LEU 51 Cb 0.04 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.48 1x68 s LEU 51 CO -0.04 0.13 -0.08 0.42 0.02 0.00 0.00 176.35 176.80 1x68 s THR 52 N -1.52 1.01 0.04 5.49 -4.23 -1.26 -0.82 115.64 114.34 1x68 s THR 52 Ca 0.24 -0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1x68 s THR 52 Cb -0.10 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1x68 s THR 52 CO 0.15 0.35 0.11 -1.58 -0.54 0.00 0.00 174.62 173.12 1x68 s GLN 53 N 1.40 0.60 -1.77 3.99 2.00 -0.95 -4.92 119.66 120.02 1x68 s GLN 53 Ca -0.01 -0.73 -0.17 0.00 -2.00 0.00 0.00 55.36 52.45 1x68 s GLN 53 Cb -0.13 0.24 0.17 0.00 0.80 0.00 0.00 33.01 34.08 1x68 s GLN 53 CO -0.05 -0.15 0.53 0.09 -0.50 0.00 0.00 175.29 175.21 1x68 n ASN 54 N 0.77 -1.58 0.00 6.67 3.02 -1.26 -0.59 115.26 122.29 1x68 n ASN 54 Ca -0.19 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1x68 n ASN 54 Cb 0.58 -1.92 0.00 0.00 -0.61 0.00 0.00 39.78 37.83 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x68 n LYS 55 N -4.24 -1.25 -3.54 3.52 4.76 -1.26 -4.97 118.16 111.17 1x68 n LYS 55 Ca 0.01 0.31 -0.22 0.00 -2.87 0.00 0.00 58.31 55.54 1x68 n LYS 55 Cb 0.52 -4.61 -0.01 0.00 -1.84 0.00 0.00 35.03 29.08 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1x68 s GLU 56 N -1.50 2.45 -0.08 1.97 2.02 0.24 -5.15 118.70 118.65 1x68 s GLU 56 Ca 0.00 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 53.38 1x68 s GLU 56 Cb 0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1x68 s GLU 56 CO 0.00 -0.38 -0.19 0.96 0.02 0.00 0.00 175.26 175.67 1x68 s ILE 57 N -2.56 2.60 0.04 -1.63 -4.36 -1.26 -2.23 121.20 111.80 1x68 s ILE 57 Ca 0.47 -0.86 -0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1x68 s ILE 57 Cb -0.04 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1x68 s ILE 57 CO 0.28 0.56 -0.03 -0.36 0.24 0.00 0.00 174.94 175.63 1x68 s PHE 58 N -0.18 0.43 0.63 1.37 0.08 -0.01 -2.34 117.98 117.96 1x68 s PHE 58 Ca -0.02 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.09 1x68 s PHE 58 Cb -0.14 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1x68 s PHE 58 CO 0.03 -0.28 1.05 0.00 -0.10 0.00 0.00 175.22 175.92 1x68 h GLN 60 N -0.07 -0.36 -0.60 0.00 4.20 -1.93 -1.52 115.11 114.83 1x68 h GLN 60 Ca -0.45 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.39 1x68 h GLN 60 Cb 1.21 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.99 1x68 h GLN 60 CO 0.58 -0.24 0.17 -0.22 -0.67 0.00 0.00 178.83 178.45 1x68 h LYS 61 N -0.38 0.31 -0.81 1.46 1.63 -1.95 0.12 116.57 116.95 1x68 h LYS 61 Ca 0.09 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1x68 h LYS 61 Cb 0.51 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 1x68 h LYS 61 CO -0.32 0.20 0.46 0.00 -3.45 0.00 0.00 179.45 176.35 1x68 n GLY 63 N -1.15 -0.97 3.56 0.00 0.00 -0.49 -4.76 105.19 101.38 1x68 n GLY 63 Ca 0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1x68 n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x68 s SER 64 N -2.41 5.27 0.00 1.61 0.15 -0.09 -4.71 113.70 113.51 1x68 s SER 64 Ca 0.31 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1x68 s SER 64 Cb 0.20 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x68 s SER 64 CO 0.45 -2.58 0.00 0.61 1.20 0.00 0.00 173.24 172.93 1x68 n GLY 65 N 6.59 0.48 3.28 9.45 0.00 -1.26 -5.02 105.19 118.70 1x68 n GLY 65 Ca 0.35 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 1x68 n GLY 65 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x68 s MET 66 N -2.00 0.73 -0.32 1.61 0.23 -1.26 -5.14 119.30 113.15 1x68 s MET 66 Ca 0.00 -0.14 -0.11 0.00 -1.03 0.00 0.00 55.69 54.41 1x68 s MET 66 Cb 0.00 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1x68 s MET 66 CO 0.00 -0.21 0.19 -0.51 -2.03 0.00 0.00 175.02 172.46 1x68 s ASP 67 N -1.35 5.78 0.24 -1.18 1.01 -1.26 -5.08 116.67 114.83 1x68 s ASP 67 Ca -0.13 -0.46 0.08 0.00 0.71 0.00 0.00 52.55 52.76 1x68 s ASP 67 Cb -0.04 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 1x68 s ASP 67 CO 0.05 -0.20 -0.14 0.42 0.21 0.00 0.00 175.17 175.51 1x68 s THR 68 N 1.66 1.89 -0.22 -1.27 -4.23 -1.26 -5.06 115.64 107.15 1x68 s THR 68 Ca 0.05 -2.23 0.12 0.00 -1.18 0.00 0.00 61.69 58.45 1x68 s THR 68 Cb -0.17 -2.20 0.43 0.00 1.34 0.00 0.00 72.50 71.91 1x68 s THR 68 CO 0.08 -0.48 1.30 -0.90 -0.54 0.00 0.00 174.62 174.08 1x68 n ASP 69 N -0.48 2.18 -4.60 3.99 5.75 -1.26 -5.03 116.55 117.10 1x68 n ASP 69 Ca -0.07 -3.68 -0.43 0.00 -0.01 0.00 0.00 54.79 50.60 1x68 n ASP 69 Cb 0.61 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1x68 n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1x68 s ILE 70 N -3.16 3.36 -1.38 2.12 1.01 -1.26 -4.89 121.20 117.01 1x68 s ILE 70 Ca 0.39 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.45 1x68 s ILE 70 Cb 0.37 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 39.41 1x68 s ILE 70 CO -0.02 -0.31 0.95 -1.20 0.00 0.00 0.00 174.94 174.36 1x68 n SER 71 N 10.58 0.00 -0.63 3.58 7.64 -1.26 -4.88 113.62 128.65 1x68 n SER 71 Ca 0.25 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1x68 n SER 71 Cb 0.46 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1x68 n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 72 N -1.01 -1.24 3.77 0.23 0.00 -1.26 -5.05 105.19 100.63 1x68 n GLY 72 Ca 0.02 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1x68 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x68 s PRO 73 N -0.15 3.25 -0.85 1.61 0.04 -1.26 -4.91 135.00 132.73 1x68 s PRO 73 Ca 0.00 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1x68 s PRO 73 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x68 s PRO 73 CO 0.00 -0.93 1.84 0.45 0.04 0.00 0.00 177.00 178.39 1x68 s SER 74 N -1.86 5.39 0.20 6.66 0.15 -1.26 -4.84 113.70 118.14 1x68 s SER 74 Ca 0.72 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 1x68 s SER 74 Cb -0.24 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1x68 s SER 74 CO 0.29 -2.47 0.31 -0.24 1.20 0.00 0.00 173.24 172.33 1x68 n SER 75 N 12.86 -0.87 0.00 5.45 2.88 -1.26 -5.34 113.62 127.33 1x68 n SER 75 Ca 0.33 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.90 1x68 n SER 75 Cb 0.49 1.56 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 1x68 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42